462065-51-6
2-ETHYL-3,6-DIMETHYLTETRAHYDRO-4H-THIOPYRAN-4-ONE
Name2-ETHYL-3,6-DIMETHYLTETRAHYDRO-4H-THIOPYRAN-4-ONE
1Identification
【Name】
2-ETHYL-3,6-DIMETHYLTETRAHYDRO-4H-THIOPYRAN-4-ONE
【CAS】
【MDL】
MFCD00461807
【English Synonyms】
【Formula】
C9 H16 O S
【MolWeight】
172.29
【Inchi】
InChI=1S/C9H16OS/c1-4-9-7(3)8(10)5-6(2)11-9/h6-7,9H,4-5H2,1-3H3
【InChIKey】
InChIKey=QNNFEZMOBOWVAI-UHFFFAOYSA-N
【SMILES】
CCC1C(C(=O)CC(S1)C)C
【MOL File】
2-ETHYL-3,6-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-ETHYL-3,6-DIMETHYLTETRAHYDRO-4H-THIOPYRAN-4-ONE.cml